SCHEMBL8775798

SCHEMBL8775798

CC(O)CC(c1ccccc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CFTR P13569 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GOPC Q9HD26 1/20 0.52
TBXAS1 P24557 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KCNA5 P22460 4/20 0.49
GAA P10253 1/20 0.49
KCNH2 Q12809 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
KCNN4 O15554 1/20 0.42
EPHX2 P34913 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8775841 0.85 TBXAS1 (0.56) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL108142 0.83 CYP2C9 (0.50) SLC6A3KDM4EKCNH2LMNACYP2C9
SCHEMBL1944201 0.78 CFTR (0.59) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999698 0.77 CFTR (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8552299 0.76 CYP17A1 (0.41) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL8775789 0.76 SMN1; SMN2 (0.58) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL177932 0.75
SCHEMBL30316657 0.75
SCHEMBL4098469 0.75
SCHEMBL31080226 0.75

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed